RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0200136
RefMet name	Methyl red
Systematic name	2-[(1E)-2-[4-(dimethylamino)phenyl]diazen-1-yl]benzoic acid
Synonyms	PubChem Synonyms
Exact mass	269.116427 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C15H15N3O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	151355 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16+
InChIKey	CEQFOVLGLXCDCX-WUKNDPDISA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CN(C)c1ccc(cc1)/N=N/c1ccccc1C(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Azobenzenes
Sub Class	Azobenzenes
Distribution of Methyl red in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Methyl red
External Links
Pubchem CID	10303
ChEBI ID	49770
EPA CompTox	DTXCID9022154
Drugbank DB	DB08209
Spectral data for Methyl red standards
MassBank(EU)	View MS spectra